SCHEMBL7842569

SCHEMBL7842569

CC(=O)OCC(=O)C1C=C(c2ccc(N3C[C@H](CN(C(=O)OC(C)(C)C)c4cnsn4)OC3=O)cc2F)CCN1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.39
CALML3 P27482 4/20 0.35
MAOB P27338 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
F10 P00742 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5833795 0.85 MAOA (0.45) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL5834202 0.84 MAOA (0.42) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL5834855 0.78 MAOB (0.34) MAOACALML3MAOBF10
Hydrochloric Acid SCHEMBL5833221 0.78 MAOA (0.36) MAOACALML3MAOBF10
SCHEMBL7107280 0.78 MAOA (0.58) MAOACALML3MAOBF10
SCHEMBL5833603 0.77 MAOA (0.42) MAOACALML3MAOBF10
SCHEMBL5833669 0.76 MAOA (0.40) MAOACALML3MAOBF10
Hydrochloric Acid SCHEMBL5834433 0.71 MAOA (0.47) MAOACALML3MAOB
SCHEMBL13298877 0.71 MAOA (0.47) MAOACALML3MAOB
SCHEMBL5834262 0.70 MAOA (0.34) MAOACALML3MAOBF10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO disclosed